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Catalysis

Working Paper

Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

Joseph Gauthier, Colin Dickens, Hendrik H. Heenen, Stefan Ringe, Karen Chan

Version 1 posted 01 July 2019

860

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Catalysis

Working Paper

Using pH dependence to understand mechanisms in electrochemical CO reduction

Georg Kastlunger, Lei Wang, Nitish Govindarajan, Hendrik H. Heenen, Stefan Ringe, Thomas Jaramillo, Christopher Hahn, Karen Chan

Version 3 posted 03 December 2021

1,649

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Catalysis

Working Paper

Mechanism for acetate formation in electrochemical CO(2) reduction on Cu: Selectivity with potential, pH, and nanostructuring

Hendrik H. Heenen, Haeun Shin, Georg Kastlunger, Sean Overa, Joseph A. Gauthier, Feng Jiao, Karen Chan

Version 4 posted 03 August 2022

2,630

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Theoretical and Computational Chemistry

Working Paper

On the role of long-range electrostatics in machine-learned interatomic potentials for complex battery materials

Carsten G. Staacke, Hendrik H. Heenen, Christoph Scheurer, Gábor Csányi, Karsten Reuter, Johannes T. Margraf

Version 1 posted 26 July 2021

717

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Catalysis

Working Paper

First step of the oxygen reduction reaction on Au(111): A computational study of O2 adsorption at the electrified metal/water interface

Alexandra M. Dudzinski, Elias Diesen, Hendrik H. Heenen, Vanessa Jane Bukas, Karsten Reuter

Version 1 posted 09 May 2023

356

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Catalysis

Working Paper

Exploring mesoscopic mass transport effects on electrocatalytic selectivity

Hendrik H. Heenen, Hemanth S. Pillai, Karsten Reuter, Vanessa Jane Bukas

Version 1 posted 28 December 2023

382

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Catalysis

Review

Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis

Hemanth S. Pillai, Hendrik H. Heenen, Karsten Reuter, Vanessa J. Bukas

Version 1 posted 16 October 2024

133

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7 results in Hendrik H. Heenen in Authors: Hendrik H. Heenen

Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

Using pH dependence to understand mechanisms in electrochemical CO reduction

Mechanism for acetate formation in electrochemical CO(2) reduction on Cu: Selectivity with potential, pH, and nanostructuring

On the role of long-range electrostatics in machine-learned interatomic potentials for complex battery materials

First step of the oxygen reduction reaction on Au(111): A computational study of O2 adsorption at the electrified metal/water interface

Exploring mesoscopic mass transport effects on electrocatalytic selectivity

Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis

7 results in Authors: Hendrik H. Heenen